6-Methoxyhexan-1-ol

HCID 12651699CAS 57021-65-5

Substructure search Find similar structures

Basic information

Standard SMILES: COCCCCCCO
InChIKey: CROLBRYGLOVQCD-UHFFFAOYSA-N
Molecular formula: C7H16O2
Average molar mass: 132.2 g/mol
Monoisotopic mass: 132.11502975

Names & identifiers

Preferred name: 6-Methoxyhexan-1-ol
IUPAC: 6-methoxyhexan-1-ol
English name: 1-Hexanol, 6-methoxy-
Molecular formula: C7H16O2
Molecular weight: 132.2

Names & synonyms

6-methoxyhexan-1-ol57021-65-5DTXSID00505747RefChem:308834DTXCID30456556974-937-76-methoxy-1-hexanol1-Hexanol, 6-methoxy-MFCD203407376-Methoxy-hexanolSCHEMBL271700SCHEMBL430013

Show more names

SCHEMBL22832241,6-hexanediol monomethyl etherSCHEMBL14892156HCA02165AKOS013838594AS-95874SY418532G49610

Database identifiers

CAS: 57021-65-5
PubChem CID: 12651699
DTXSID: DTXSID00505747
EC Number: 974-937-7
Nikkaji: J1.224.440A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 9
Formal charge: 0
Complexity: 46.2

Physicochemical properties

Boiling point: 112 °C · 112 °C(Press: 18 Torr)
Density: 0.893 · 0.893±0.06 g/cm3(Predicted)
pka: 15.18 · 15.18±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.